(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide

C16H22N2O2 — CID 154967020

IUPAC(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-16(20)14-8-5-11-18(12-14)15(19)10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyDFNFEBWJPCUKIR-AWEZNQCLSA-N
MW274.36 g/mol
LogP1.60
Rot. Bonds4

About (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide

(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide (PubChem CID 154967020) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
PubChem CID154967020
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-16(20)14-8-5-11-18(12-14)15(19)10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyDFNFEBWJPCUKIR-AWEZNQCLSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
1-[3-(2-aminophenyl)propanoyl]-N-methylpiperidine-3-carboxamide
CID 103197591
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
1-[3-[3-(methylcarbamoyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 120512559
(3S)-N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 93013795
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
methyl 1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 78919193
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide (CID 154967020) is (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
The InChIKey is DFNFEBWJPCUKIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-16(20)14-8-5-11-18(12-14)15(19)10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide?
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 154967020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).